Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information? - Dominik Kaiser; Barbara Zdrazil; Gerhard F. Ecker (J. Comput. Aided Mol. Des., 2005)

Insights into binding events of GABA- and Tiagabine- analogues in the Gamma-Aminobutyric Acid Transporter 1 by means of Molecular Modelling. - Barbara Zdrazil; Andreas Jurik; Regina Reicherstorfer; Thomas Stockner; Harald H. Sitte; Gerhard F. Ecker (J. Cheminformatics, 2012)

Pairwise structural comparison of tiagabine analogs gives new insights into their protein binding modes. - Barbara Zdrazil; Andreas Jurik; Harald H. Sitte; Gerhard F. Ecker (J. Cheminformatics, 2013)

Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning. - Floriane Montanari; Barbara Zdrazil; Daniela Digles; Gerhard F. Ecker (J. Cheminformatics, 2016)

Empowering pharmacoinformatics by linked life science data. - Daria Goldmann; Barbara Zdrazil; Daniela Digles; Gerhard F. Ecker (J. Comput. Aided Mol. Des., 2017)

Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides. - Alzbeta Türková; Sankalp Jain; Barbara Zdrazil (J. Chem. Inf. Model., 2019)

A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19. - Alzbeta Türková; Barbara Zdrazil (J. Cheminformatics, 2020)

Reply to "FAIR chemical structure in the Journal of Cheminformatics". - Rajarshi Guha; Nina Jeliazkova; Egon L. Willighagen; Barbara Zdrazil (J. Cheminformatics, 2021)

What is the role of cheminformatics in a pandemic? - Rajarshi Guha; Egon L. Willighagen; Barbara Zdrazil; Nina Jeliazkova (J. Cheminformatics, 2021)

Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides. - Alzbeta Türková; Orsolya Ungvári; Réka Laczkó-Rigó; Erzsébet Mernyák; Gergely Szakács; Csilla Özvegy-Laczka; Barbara Zdrazil (J. Chem. Inf. Model., 2021)

Diversifying cheminformatics. - Barbara Zdrazil; Rajarshi Guha (J. Cheminformatics, 2022)

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. - Alzbeta Türková; Brandon J. Bongers; Ulf Norinder; Orsolya Ungvári; Virág Székely; Andrey Tarnovskiy; Gergely Szakács; Csilla Özvegy-Laczka; Gerard J. P. van Westen; Barbara Zdrazil (J. Chem. Inf. Model., 2022)

EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022. - Matthew Thakur; Alex Bateman; Cath Brooksbank; Mallory Ann Freeberg; Melissa Harrison; Matthew Hartley; Thomas M. Keane; Gerard J. Kleywegt; Andrew Leach; Maria Levchenko; Sarah L. Morgan; Ellen M. McDonagh; et al. (Nucleic Acids Res., 2023)

School of cheminformatics in Latin America. - Karla Gonzalez-Ponce; Carolina Horta Andrade; Fiona M. I. Hunter; Johannes Kirchmair; Karina Martínez-Mayorga; José L. Medina-Franco; Matthias Rarey; Alexander Tropsha; Alexandre Varnek; Barbara Zdrazil (J. Cheminformatics, 2023)

A look back at a pilot of the citation typing ontology. - Rajarshi Guha; Barbara Zdrazil; Nina Jeliazkova; Karina Martínez-Mayorga (J. Cheminformatics, 2023)

Improving reproducibility and reusability in the Journal of Cheminformatics. - Charles Tapley Hoyt; Barbara Zdrazil; Rajarshi Guha; Nina Jeliazkova; Karina Martínez-Mayorga; Eva Nittinger (J. Cheminformatics, 2023)

Biomedical data analyses facilitated by open cheminformatics workflows. - Eva Nittinger; Alex Clark; Anna Gaulton; Barbara Zdrazil (J. Cheminformatics, 2023)

Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement. - Barbara Zdrazil; Rajarshi Guha; Karina Martínez-Mayorga; Nina Jeliazkova (J. Cheminformatics, 2024)

Fifteen years of ChEMBL and its role in cheminformatics and drug discovery. - Barbara Zdrazil (J. Cheminformatics, 2025)